>compound Serotonin_Serotonin
#instrument UPLC Q-Tof Premier, Waters
>formula C10H12N2O
#smiles NCCc(c1)c(c2)c(ccc(O)2)n1
#RECORD LC-ESI-QTOF_train_data/PR100014.txt;LC-ESI-QTOF_train_data/PR100015.txt
>charge 1
>ionization [M+H]+
>parentmass 177.10276

>collision 5-60
160.0758 196.5
176.9541 29.58
177.1014 404.5

>collision 30
160.0746 41.85
176.95 2.721
176.9854 3.239
177.0211 2.832
177.0652 4.27
177.0965 26.79

